3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide

C16H14N4O2 — CID 39046968

IUPAC3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
SMILESCn1c(C(=O)NCc2ccncc2)nc2ccccc2c1=O
InChIInChI=1S/C16H14N4O2/c1-20-14(15(21)18-10-11-6-8-17-9-7-11)19-13-5-3-2-4-12(13)16(20)22/h2-9H,10H2,1H3,(H,18,21)
InChIKeyKLHCLRQVRPCCCV-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.26
Rot. Bonds3

About 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide

3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide (PubChem CID 39046968) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide.

Molecular Properties

Compound Name3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
PubChem CID39046968
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide
SMILESCn1c(C(=O)NCc2ccncc2)nc2ccccc2c1=O
InChIInChI=1S/C16H14N4O2/c1-20-14(15(21)18-10-11-6-8-17-9-7-11)19-13-5-3-2-4-12(13)16(20)22/h2-9H,10H2,1H3,(H,18,21)
InChIKeyKLHCLRQVRPCCCV-UHFFFAOYSA-N
XLogP1.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
The IUPAC name of 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide (CID 39046968) is 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide.
What is the SMILES notation for 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
The canonical SMILES for 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide is Cn1c(C(=O)NCc2ccncc2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
The InChIKey is KLHCLRQVRPCCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-20-14(15(21)18-10-11-6-8-17-9-7-11)19-13-5-3-2-4-12(13)16(20)22/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide?
3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinazoline-2-carboxamide is sourced from PubChem (CID 39046968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).